Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
GPCR_HUMAN_201601 (GPCR_HUMAN - Jan 2016)
Download :
Data.csv
|
3D Models
Tab legend :
Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
|
Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
Y01 - [nb=81] --> CHOLESTEROL HEMISUCCINATE
GLU - [nb=49] --> GLUTAMIC ACID
CHAIN - [nb=31] --> Distinctin chain B
2CV - [nb=30] --> HEGA-10
SOG - [nb=24] --> .....AHYDRO-PYRAN-3,4,5-TRIOL)
Z99 - [nb=22] --> .....H-XANTHEN-9-YL)-D-ALANINE
52Q - [nb=22] --> .....ane-2,6-dicarboxylic acid
D10 - [nb=17] --> DECANE
OLC - [nb=16] --> .....PYL (9Z)-OCTADEC-9-ENOATE
C5A - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
C5B - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
52A - [nb=15] --> .....INE-2,4-DICARBOXYLIC ACID
40H - [nb=13] --> .....ne]-4,6-dicarboxylic acid
2CG - [nb=13] --> .....ANE-1,2-DICARBOXYLIC ACID
NAG - [nb=12] --> ..... (N-ACETYL-D-GLUCOSAMINE)
GGL - [nb=12] --> GAMMA-L-GLUTAMIC ACID
CLR - [nb=12] --> CHOLESTEROL
STE - [nb=10] --> STEARIC ACID
OLA - [nb=7] --> OLEIC ACID
0HK - [nb=6] --> .....cyclo[3.3.1.0~2,4~]nonane
OLB - [nb=6] --> .....PYL (9Z)-OCTADEC-9-ENOATE
HTO - [nb=6] --> HEPTANE-1,2,3-TRIOL
40F - [nb=5] --> .....ane-2,6-dicarboxylic acid
ML5 - [nb=5] --> .....-OXOBUTYL}PHOSPHONIC ACID
0NN - [nb=4] --> .....-YL)PROPYL]-D-PROLINAMIDE
MRV - [nb=4] --> .....YL]CYCLOHEXANECARBOXAMIDE
RAA - [nb=4] --> SUGAR (ALPHA-RHAMNOSE)
3C0 - [nb=4] --> N-methyl scopolamine
PGW - [nb=3] --> .....HYL (9Z)-OCTADEC-9-ENOATE
MES - [nb=3] --> .....LINO)-ETHANESULFONIC ACID
QNB - [nb=3] --> ..... HYDROXY(DIPHENYL)ACETATE
ITD - [nb=2] --> .....LOHEXYLIMIDOTHIOCARBAMATE
2ID - [nb=2] --> .....thyl dihydrogen phosphate
BNG - [nb=2] --> SUGAR (B-NONYLGLUCOSIDE)
RAM - [nb=2] --> SUGAR (ALPHA-L-RHAMNOSE)
4VO - [nb=2] --> .....naphtho[2,1-g]indol-10-ol
3N6 - [nb=2] --> .....]CARBONYL}-D-TYROSINAMIDE
MCG - [nb=2] --> .....YL-4-CARBOXYPHENYLGLYCINE
1Q5 - [nb=2] --> .....YLPHENOXY)PYRIDIN-4-AMINE
2BQ - [nb=1] --> 2-HYDROXYSACLOFEN
2BX - [nb=1] --> .....ORPHOLIN-2-YL]ACETIC ACID
1PE - [nb=1] --> PENTAETHYLENE GLYCOL
2BY - [nb=1] --> PHACLOFEN
2C0 - [nb=1] --> BACLOFEN
2BV - [nb=1] --> .....OXYPROPYL]PHOSPHINIC ACID
4E6 - [nb=1] --> .....6E)-HEXADECA-1,4,6-TRIENE
ABU - [nb=1] --> GAMMA-AMINO-BUTANOIC ACID
N7R - [nb=1] --> .....)PIPERIDINE-1-CARBOXAMIDE
PLM - [nb=1] --> PALMITIC ACID
1KS - [nb=1] --> .....TRIFLUOROMETHYL)BENZAMIDE
381 - [nb=1] --> .....XYLMETHYL)PHOSPHINIC ACID
EJ4 - [nb=1] --> .....B]CARBAZOLE-1,8A(9H)-DIOL
5EH - [nb=1] --> .....,N-DIMETHYLPROPAN-1-AMINE
2BW - [nb=1] --> .....OXYMETHYL)PHOSPHINIC ACID
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
200
GLP2R_HUMAN
7
51%
0.298
PF00001
20 -
(0)
?
- / - / -
0
201
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
202
OR2M3_HUMAN
3
50%
0.334
PF10413
45 -
(0)
?
- / - / -
0
203
GP148_HUMAN
12
26%
0.311
PF00001
65 -
(0)
?
- / - / -
0
204
GLR_HUMAN
10
99%
0.321
PF00001
C3_S1
16 -
(0)
2
- /
1
/
1
0
205
EDNRB_HUMAN
20
44%
0.337
PF00001
41 -
(0)
?
- / - / -
0
206
O2T10_HUMAN
3
33%
0.254
PF00001
94 -
(0)
?
- / - / -
0
207
MCHR1_HUMAN
20
34%
0.279
PF00001
74 -
(0)
?
- / - / -
0
208
O51A2_HUMAN
7
33%
0.269
PF00001
41 -
(0)
?
- / - / -
0
209
O6C70_HUMAN
8
52%
0.342
PF00001
38 -
(0)
?
- / - / -
0
210
FZD8_HUMAN
14
100%
0.566
PF01392
13 -
(0)
?
- / - / -
0
211
GP143_HUMAN
12
21%
0.286
PF00001
14 -
(0)
?
- / - / -
0
212
TAAR2_HUMAN
20
43%
0.313
PF00001
49 -
(0)
?
- / - / -
0
213
MTR1A_HUMAN
20
39%
0.293
PF00001
101 -
(0)
?
- / - / -
0
214
GPR17_HUMAN
18
33%
0.282
PF00001
71 -
(0)
?
- / - / -
0
215
OR5B2_HUMAN
5
31%
0.349
PF00001
23 -
(0)
?
- / - / -
0
216
OR5K4_HUMAN
11
59%
0.313
PF00001
34 -
(0)
?
- / - / -
0
217
OR4A5_HUMAN
12
42%
0.282
PF00001
50 -
(0)
?
- / - / -
0
218
OR2T6_HUMAN
5
42%
0.311
PF10413
38 -
(0)
?
- / - / -
0
219
SMO_HUMAN
16
100%
0.319
PF01392
C1_S1
13 -
(0)
2
1
/ - / -
0
220
O10G7_HUMAN
7
34%
0.269
PF00001
42 -
(0)
?
- / - / -
0
221
CCR9_HUMAN
20
40%
0.309
PF00001
C4_S1
72 -
(0)
4
- / - /
1
0
222
O51I1_HUMAN
12
43%
0.215
PF00001
53 -
(0)
?
- / - / -
0
223
GP156_HUMAN
0
23%
0.241
PF07412
7 -
(0)
?
- / - / -
0
224
OR6V1_HUMAN
12
36%
0.232
PF00001
46 -
(0)
?
- / - / -
0
225
ADA1A_HUMAN
26
37%
0.330
PF00001
C5_S1
162 -
(0)
6
- / - /
2
0
226
OR8K1_HUMAN
13
31%
0.300
PF00001
33 -
(0)
?
- / - / -
0
227
O10J1_HUMAN
10
50%
0.250
PF00001
45 -
(0)
?
- / - / -
0
228
O51I2_HUMAN
11
36%
0.270
PF00001
57 -
(0)
?
- / - / -
0
229
OR2M4_HUMAN
4
57%
0.370
PF10413
C1_S1
41 -
(0)
?
- / - /
1
0
230
GPR22_HUMAN
9
38%
0.208
PF00001
37 -
(0)
?
- / - / -
0
231
MAS_HUMAN
13
32%
0.204
PF00001
40 -
(0)
?
- / - / -
0
232
OR4Q3_HUMAN
3
36%
0.358
PF00001
39 -
(0)
?
- / - / -
0
233
OR5L1_HUMAN
13
35%
0.319
PF00001
24 -
(0)
?
- / - / -
0
234
OR6P1_HUMAN
6
34%
0.345
PF00001
36 -
(0)
?
- / - / -
0
235
RL3R2_HUMAN
15
34%
0.282
PF00001
52 -
(0)
?
- / - / -
0
236
NPY4R_HUMAN
20
33%
0.260
PF00001
58 -
(0)
?
- / - / -
0
237
O11G2_HUMAN
13
38%
0.235
PF00001
35 -
(0)
?
- / - / -
0
238
OR4Q2_HUMAN
10
40%
0.278
PF00001
33 -
(0)
?
- / - / -
0
239
O11H2_HUMAN
6
40%
0.301
PF00001
38 -
(0)
?
- / - / -
0
240
O10W1_HUMAN
7
22%
0.222
PF00001
17 -
(0)
?
- / - / -
0
241
O52E8_HUMAN
2
41%
0.267
PF00001
74 -
(0)
?
- / - / -
0
242
NPFF2_HUMAN
20
36%
0.325
PF00001
70 -
(0)
?
- / - / -
0
243
VIPR2_HUMAN
9
46%
0.350
PF00001
15 -
(0)
1
- / - / -
0
244
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
245
OR2A7_HUMAN
9
38%
0.368
PF00001
49 -
(0)
?
- / - / -
0
246
OR2B3_HUMAN
5
40%
0.226
PF10413
30 -
(0)
?
- / - / -
0
247
5HT7R_HUMAN
24
38%
0.314
PF00001
C5_S1
230 -
(0)
5
- / - /
2
0
248
OR2C1_HUMAN
3
40%
0.327
PF10413
69 -
(0)
?
- / - / -
0
249
5HT1D_HUMAN
26
55%
0.281
PF00001
C4_S1
198 -
(0)
6
- / - /
4
0
250
O11A1_HUMAN
0
31%
0.304
PF00001
109 -
(0)
?
- / - / -
0
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